(1Z)-1-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)butan-2-one

Systemtic Name: (1Z)-1-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)butan-2-one Openeye Name: (1Z)-1-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)butan-2-one CAS Name: (1Z)-1-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)-2-butanone IUPAC Name: (1Z)-1-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)butan-2-one Traditional Name: (1Z)-1-(3-cycloheptyl-1,3-benzothiazol-2-ylidene)butan-2-one Formula: C18H23NOS MolecularWeight: 301.44632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C=C1N(C2=CC=CC=C2S1)C3CCCCCC3

Isomeric SMILES

CCC(=O)/C=C\1/N(C2=CC=CC=C2S1)C3CCCCCC3

InChI

InChI=1S/C18H23NOS/c1-2-15(20)13-18-19(14-9-5-3-4-6-10-14)16-11-7-8-12-17(16)21-18/h7-8,11-14H,2-6,9-10H2,1H3/b18-13-